Solvent Selection for Polymers Enabled by Generalized Chemical Fingerprinting and Machine Learning

IMPORTANT NOTE: The code and data shared here is available for academic non-commercial use only

This code corresponds to the publication "Solvent Selection for Polymers Enabled by Generalized Chemical Fingerprinting and Machine Learning". The repository contains data to assist in the visualization of certain plots in the paper.

Requirements

Requirements are managed by poetry, not the requirements.txt file. That is just for binder's build process. To generate an updated requirements.txt file, run poetry export -f requirements.txt --output requirements.txt --without-hashes